SCHEMBL8048673

SCHEMBL8048673

O=C(O)c1ccsc1-n1nnnc1Sc1nc(-c2ccccc2)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
RAB9A P51151 7/20 0.40
NPC1 O15118 5/20 0.39
TDP1 Q9NUW8 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
DHODH Q02127 3/20 0.38
MAPT P10636 4/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 3/20 0.36
ALDH1A1 P00352 1/20 0.36
STAT1 P42224 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8714734 0.91 KMT2A (0.43) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL8042172 0.84 ALDH1A1 (0.38) MEN1KMT2ARAB9ANPC1TDP1
SCHEMBL8042914 0.84 LMNA (0.43) MEN1KMT2ARAB9ANPC1TDP1
SCHEMBL8045965 0.82 MEN1 (0.43) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL8032479 0.82 ALDH1A1 (0.47) MEN1KMT2ARAB9ANPC1TDP1
SCHEMBL8043692 0.81 HSD17B10 (0.36) MEN1KMT2ATDP1HTTSMN1; SMN2
SCHEMBL8045514 0.81 HPGD (0.54) MEN1KMT2ARAB9ANPC1TDP1
SCHEMBL8715721 0.80 ALDH1A1 (0.41) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL8045476 0.80 KMT2A (0.40) MEN1KMT2ARAB9ATDP1HTT
SCHEMBL8044812 0.79 ALDH1A1 (0.52) MEN1KMT2ARAB9ATDP1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed